SCHEMBL17239444

SCHEMBL17239444

c1ccc(-c2ccn([C@H]3CCOC3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
IL4I1 Q96RQ9 1/20 0.39
PLAUR Q03405 1/20 0.36
AR P10275 1/20 0.35
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MTOR P42345 2/20 0.34
LCK P06239 1/20 0.34
SRC P12931 1/20 0.34
TEK Q02763 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
HSD11B1 P28845 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17239594 1.00 KMT2A (0.42) KMT2AIL4I1PLAURARATR
SCHEMBL17239582 0.91 KMT2A (0.44) KMT2APLAURARATRATRIP
SCHEMBL26108472 0.87 KMT2A (0.47) KMT2APLAURARNPC1RAB9A
SCHEMBL29152983 0.78 KMT2A (0.47) KMT2AIL4I1PLAURARNPC1
SCHEMBL20158909 0.76 CCR1 (0.42) ATRATRIPPDE1APDE1BPDE1C
SCHEMBL21325568 0.76 CCR1 (0.42) ATRATRIPPDE1APDE1BPDE1C
SCHEMBL28616778 0.76 CCR1 (0.42) ATRATRIPPDE1APDE1BPDE1C
SCHEMBL20456840 0.75 PIK3CD (0.35) ATRATRIPMTORSRCFAAH
SCHEMBL20456775 0.75 PIK3CD (0.35) ATRATRIPMTORSRCFAAH
SCHEMBL20456777 0.75 PIK3CD (0.35) ATRATRIPMTORSRCFAAH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328096-B2 Tropomyosin-related kinase inhibitors PFIZER INC. (US) 2016-05-03 US disclosed
US-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER (US) 2015-11-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS TPM3, MUSK, TPM4 KMT2A 3210/4885IL4I1 1895/4885PLAUR 838/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.